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4CWZ

Structure of bovine endothelial nitric oxide synthase Y477A mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(4- METHYLPYRIDIN-2-YL)PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE

Functional Information from GO Data
ChainGOidnamespacecontents
A0004517molecular_functionnitric-oxide synthase activity
A0006809biological_processnitric oxide biosynthetic process
B0004517molecular_functionnitric-oxide synthase activity
B0006809biological_processnitric oxide biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues15
DetailsBINDING SITE FOR RESIDUE HEM A 500
ChainResidue
ATRP180
AHW9800
AHOH2090
AHOH2211
AHOH2283
AHOH2284
AHOH2285
ACYS186
ASER228
APHE355
ASER356
ATRP358
AGLU363
ATRP449
AH4B600

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE H4B A 600
ChainResidue
ASER104
AARG367
AALA448
ATRP449
AHEM500
AHW9800
AHOH2042
AHOH2215
AHOH2217
AHOH2262
AHOH2284
BTRP447
BPHE462
BHIS463

site_idAC3
Number of Residues12
DetailsBINDING SITE FOR RESIDUE HW9 A 800
ChainResidue
ALEU107
APRO336
AASN340
AMET341
AGLY357
ATRP358
AGLU363
ATRP449
AHEM500
AH4B600
AHOH2090
AHOH2284

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
ATRP358
AVAL420
ASER428
AHOH2094
AHOH2287

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 861
ChainResidue
AARG252
AASN368
AARG374
AHOH2158
AHOH2288

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 900
ChainResidue
ACYS96
ACYS101
BCYS96
BCYS101

site_idAC7
Number of Residues15
DetailsBINDING SITE FOR RESIDUE HEM B 500
ChainResidue
BTRP180
BCYS186
BSER228
BPHE355
BSER356
BTRP358
BGLU363
BTRP449
BH4B600
BHW9800
BHOH2089
BHOH2189
BHOH2244
BHOH2245
BHOH2246

site_idAC8
Number of Residues13
DetailsBINDING SITE FOR RESIDUE H4B B 600
ChainResidue
ATRP447
APHE462
AHOH2272
BSER104
BARG367
BALA448
BTRP449
BHEM500
BHW9800
BHOH2032
BHOH2190
BHOH2233
BHOH2245

site_idAC9
Number of Residues12
DetailsBINDING SITE FOR RESIDUE HW9 B 800
ChainResidue
BASN340
BMET341
BGLY357
BTRP358
BGLU363
BTRP449
BHEM500
BH4B600
BHOH2089
BHOH2181
BHOH2245
BHOH2247

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BHOH2215
BHOH2248
BTRP358
BVAL420
BSER428
BHOH2093

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 861
ChainResidue
BARG252
BASN368
BARG374
BHOH2141
BHOH2249

Functional Information from PROSITE/UniProt
site_idPS60001
Number of Residues8
DetailsNOS Nitric oxide synthase (NOS) signature. RCVGRIqW
ChainResidueDetails
AARG185-TRP192

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P35228
ChainResidueDetails
ACYS96
ACYS101
BCYS96
BCYS101

site_idSWS_FT_FI2
Number of Residues20
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P29474
ChainResidueDetails
ASER104
AALA477
BSER104
BGLN249
BTRP358
BTYR359
BGLU363
BASN368
BALA448
BTRP449
BPHE462
AGLN249
BALA477
ATRP358
ATYR359
AGLU363
AASN368
AALA448
ATRP449
APHE462

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: axial binding residue => ECO:0000250|UniProtKB:P29474
ChainResidueDetails
ACYS186
BCYS186

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: Phosphoserine; by CDK5 => ECO:0000250|UniProtKB:P29474
ChainResidueDetails
ASER116
BSER116

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PDB entries from 2024-09-04

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